carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline

C121H119Cl6N3Zr3 — CID 158660262

IUPACcarbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCc2ccccc21.CC1=Cc2c(-c3ccccc3)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C40H35N.C39H33N.C36H33N.6CH3.6ClH.3Zr/c1-26-23-37-32(31-16-7-13-28-11-3-5-15-30(28)31)17-8-18-33(37)35(26)25-36-27(2)24-38-34(36)19-9-21-40(38)41-22-10-14-29-12-4-6-20-39(29)41;1-25-22-36-31(30-14-7-12-27-10-3-5-13-29(27)30)15-8-16-32(36)34(25)24-35-26(2)23-37-33(35)17-9-19-39(37)40-21-20-28-11-4-6-18-38(28)40;1-24-21-33-28(26-11-4-3-5-12-26)15-8-16-29(33)31(24)23-32-25(2)22-34-30(32)17-9-19-36(34)37-20-10-14-27-13-6-7-18-35(27)37;;;;;;;;;;;;;;;/h3-9,11-13,15-21,23-24,35-36H,10,14,22,25H2,1-2H3;3-19,22-23,34-35H,20-21,24H2,1-2H3;3-9,11-13,15-19,21-22,31-32H,10,14,20,23H2,1-2H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
InChIKeyICQYOUBIBCYXCR-UHFFFAOYSA-H
MW2101.69 g/mol
LogP37.34
Rot. Bonds12

About carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline

carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 158660262) has the molecular formula C121H119Cl6N3Zr3 and a molecular weight of 2101.69 g/mol. Its IUPAC name is carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Namecarbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID158660262
Molecular FormulaC121H119Cl6N3Zr3
Molecular Weight2101.69 g/mol
Exact Mass2093.47
IUPAC Namecarbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCc2ccccc21.CC1=Cc2c(-c3ccccc3)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C40H35N.C39H33N.C36H33N.6CH3.6ClH.3Zr/c1-26-23-37-32(31-16-7-13-28-11-3-5-15-30(28)31)17-8-18-33(37)35(26)25-36-27(2)24-38-34(36)19-9-21-40(38)41-22-10-14-29-12-4-6-20-39(29)41;1-25-22-36-31(30-14-7-12-27-10-3-5-13-29(27)30)15-8-16-32(36)34(25)24-35-26(2)23-37-33(35)17-9-19-39(37)40-21-20-28-11-4-6-18-38(28)40;1-24-21-33-28(26-11-4-3-5-12-26)15-8-16-29(33)31(24)23-32-25(2)22-34-30(32)17-9-19-36(34)37-20-10-14-27-13-6-7-18-35(27)37;;;;;;;;;;;;;;;/h3-9,11-13,15-21,23-24,35-36H,10,14,22,25H2,1-2H3;3-19,22-23,34-35H,20-21,24H2,1-2H3;3-9,11-13,15-19,21-22,31-32H,10,14,20,23H2,1-2H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
InChIKeyICQYOUBIBCYXCR-UHFFFAOYSA-H
XLogP37.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002101.69
LogP ≤ 537.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline
CID 122433936
1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
CID 67039723
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(2-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220392
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220521
1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
CID 59195882
4-(2,3-dihydroindol-1-yl)-2-phenylquinoline
CID 91742521
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89110917
dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane;dimethyl-bis(4-naphthalen-1-yl-1H-inden-1-yl)silane
CID 161108029
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline (CID 158660262) is carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline is CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1CCc2ccccc21.CC1=Cc2c(-c3ccccc3)cccc2C1CC1C(C)=Cc2c1cccc2N1CCCc2ccccc21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is ICQYOUBIBCYXCR-UHFFFAOYSA-H. The full InChI is InChI=1S/C40H35N.C39H33N.C36H33N.6CH3.6ClH.3Zr/c1-26-23-37-32(31-16-7-13-28-11-3-5-15-30(28)31)17-8-18-33(37)35(26)25-36-27(2)24-38-34(36)19-9-21-40(38)41-22-10-14-29-12-4-6-20-39(29)41;1-25-22-36-31(30-14-7-12-27-10-3-5-13-29(27)30)15-8-16-32(36)34(25)24-35-26(2)23-37-33(35)17-9-19-39(37)40-21-20-28-11-4-6-18-38(28)40;1-24-21-33-28(26-11-4-3-5-12-26)15-8-16-29(33)31(24)23-32-25(2)22-34-30(32)17-9-19-36(34)37-20-10-14-27-13-6-7-18-35(27)37;;;;;;;;;;;;;;;/h3-9,11-13,15-21,23-24,35-36H,10,14,22,25H2,1-2H3;3-19,22-23,34-35H,20-21,24H2,1-2H3;3-9,11-13,15-19,21-22,31-32H,10,14,20,23H2,1-2H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6.
What are the key properties of carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline?
carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 2101.69 g/mol, XLogP of 37.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(dichlorozirconium(2+));1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-2,3-dihydroindole;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline;1-[2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-1H-inden-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).